2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C25H25ClF4N8O2 — CID 162378374

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C(F)(F)F)nc1-c1c(F)cc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)nc32)cc1OC
InChIInChI=1S/C25H25ClF4N8O2/c1-5-35-12-18(25(28,29)30)32-23(35)20-16(27)8-14(9-17(20)40-4)11-36-19(39)6-7-37-24(36)33-22(34-37)21-15(26)10-31-38(21)13(2)3/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyGWNPEMJYXOGQQR-UHFFFAOYSA-N
MW580.97 g/mol
LogP5.36
Rot. Bonds7

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378374) has the molecular formula C25H25ClF4N8O2 and a molecular weight of 580.97 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID162378374
Molecular FormulaC25H25ClF4N8O2
Molecular Weight580.97 g/mol
Exact Mass580.17
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C(F)(F)F)nc1-c1c(F)cc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)nc32)cc1OC
InChIInChI=1S/C25H25ClF4N8O2/c1-5-35-12-18(25(28,29)30)32-23(35)20-16(27)8-14(9-17(20)40-4)11-36-19(39)6-7-37-24(36)33-22(34-37)21-15(26)10-31-38(21)13(2)3/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyGWNPEMJYXOGQQR-UHFFFAOYSA-N
XLogP5.36
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.97
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 162378374) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCn1cc(C(F)(F)F)nc1-c1c(F)cc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)nc32)cc1OC.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GWNPEMJYXOGQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF4N8O2/c1-5-35-12-18(25(28,29)30)32-23(35)20-16(27)8-14(9-17(20)40-4)11-36-19(39)6-7-37-24(36)33-22(34-37)21-15(26)10-31-38(21)13(2)3/h8-10,12-13H,5-7,11H2,1-4H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 580.97 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).